2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid

C9H11N3O6 — CID 43171702

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC(CO)C(=O)O
InChIInChI=1S/C9H11N3O6/c13-3-5(8(16)17)11-6(14)1-4-2-7(15)12-9(18)10-4/h2,5,13H,1,3H2,(H,11,14)(H,16,17)(H2,10,12,15,18)
InChIKeyPLFVIJXZHWBTOU-UHFFFAOYSA-N
MW257.20 g/mol
LogP-2.83
Rot. Bonds5

About 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 43171702) has the molecular formula C9H11N3O6 and a molecular weight of 257.20 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID43171702
Molecular FormulaC9H11N3O6
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC(CO)C(=O)O
InChIInChI=1S/C9H11N3O6/c13-3-5(8(16)17)11-6(14)1-4-2-7(15)12-9(18)10-4/h2,5,13H,1,3H2,(H,11,14)(H,16,17)(H2,10,12,15,18)
InChIKeyPLFVIJXZHWBTOU-UHFFFAOYSA-N
XLogP-2.83
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide
CID 2149964
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 2149967
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 2149968
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 24689876
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 28170063
(2S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxypropanoic acid
CID 28170065
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 43353806
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354113
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 43354559
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43354912

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid (CID 43171702) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is PLFVIJXZHWBTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6/c13-3-5(8(16)17)11-6(14)1-4-2-7(15)12-9(18)10-4/h2,5,13H,1,3H2,(H,11,14)(H,16,17)(H2,10,12,15,18).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 257.20 g/mol, XLogP of -2.83, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43171702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).